SCHEMBL8326426

SCHEMBL8326426

CN(C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.66
EPHX1 P07099 1/20 0.59
DPP4 P27487 6/20 0.54
DPP7 Q9UHL4 6/20 0.54
KCNH2 Q12809 3/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ACHE P22303 1/20 0.51
CPB1 P15086 1/20 0.50
TLR4 O00206 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16055815 1.00 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL10325767 1.00 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL8320309 0.92 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.87 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL28640121 0.85 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL28640119 0.85 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL12879965 0.85 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 4076/4885GAA 2969/4885TSHR 3940/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 4076/4885GAA 2969/4885TSHR 3940/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 4076/4885GAA 2969/4885TSHR 3940/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.